SCHEMBL7984684

SCHEMBL7984684

CC(C)n1c(-c2ccc(N)cc2Cl)nnc1C(C)(C)Oc1c(F)cc(F)cc1F

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B2 P80365 1/20 0.33
HSD11B1 P28845 3/20 0.33
PDE2A O00408 1/20 0.31
PDE6D O43924 1/20 0.31
PDE6A P16499 1/20 0.31
PDE6G P18545 1/20 0.31
PDE6B P35913 1/20 0.31
PDE6C P51160 1/20 0.31
PDE6H Q13956 1/20 0.31
PDE10A Q9Y233 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7981353 0.91 KIT (0.31)
SCHEMBL7982387 0.85 MDM2 (0.36)
SCHEMBL1417609 0.85 MDM2 (0.34) HSD11B1
SCHEMBL7978754 0.84 HSD11B1 (0.35) HSD11B2HSD11B1
SCHEMBL12677421 0.80 HSD11B1 (0.34) HSD11B1
SCHEMBL7981311 0.78 BRD4 (0.32)
SCHEMBL12671358 0.78 SLC22A12 (0.36)
SCHEMBL12671357 0.78 SCN10A (0.34)
SCHEMBL7985163 0.78 HSD11B1 (0.34) HSD11B1
SCHEMBL7993122 0.77 HSD11B1 (0.36) HSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed